SCHEMBL3563700

SCHEMBL3563700

O=C(O)c1ccc2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cc2c1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 17/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
CXCR3 P49682 2/20 0.62
PTGES O14684 2/20 0.60
TAS2R8 Q9NYW2 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3559430 0.86 TAS2R14 (0.56) TAS2R14MEN1KMT2ACXCR3PTGES
SCHEMBL1278616 0.84 TAS2R14 (1.00) TAS2R14MEN1KMT2ACXCR3PTGES
SCHEMBL1278788 0.83 TAS2R14 (0.97) TAS2R14MEN1KMT2ACXCR3PTGES
SCHEMBL1615782 0.82 TAS2R14 (0.83) TAS2R14MEN1KMT2ACXCR3PTGES
SCHEMBL3567565 0.81 CNR2 (0.60) TAS2R14MEN1KMT2A
SCHEMBL12863699 0.79 TAS2R14 (0.74) TAS2R14MEN1KMT2ACXCR3PTGES
SCHEMBL1279120 0.78 TAS2R14 (1.00) TAS2R14MEN1KMT2ACXCR3PTGES
SCHEMBL1279324 0.77 TAS2R14 (1.00) TAS2R14MEN1KMT2ACXCR3PTGES
SCHEMBL1279183 0.77 TAS2R14 (1.00) TAS2R14MEN1KMT2ACXCR3PTGES
SCHEMBL11814174 0.77 TAS2R14 (0.61) TAS2R14MEN1KMT2ACXCR3PTGES

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718688-B2 Nitrobenzindoles and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2010-05-18 US disclosed
EP-1809603-A4 NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LTD (NZ) 2009-09-02 EP disclosed
US-20080119442-A1 as hypoxia-selective drugs and radiosensitizers for cancer therapy; nitroreductase inhibitor; 1-(Chloromethyl)-5,6-dinitro-3-(5,6,7-trimethoxyindol-2-carbonyl)-1,2-dihydro-3H-benzo[e]indole; halogenation of naphthalene derivative followed by hydration and cyclization AUCKLAND UNISERVICES LIMITED (NZ) 2008-05-22 US disclosed
EP-1809603-A1 NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY Auckland Uniservices Limited (NZ) 2007-07-25 EP disclosed
WO-2006043839-A1 NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2006-04-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080119442-A1 as hypoxia-selective drugs and radiosensitizers for cancer therapy; nitroreductase inhibitor; 1-(Chloromethyl)-5,6-dinitro-3-(5,6,7-trimethoxyindol-2-carbonyl)-1,2-dihydro-3H-benzo[e]indole; halogenation of naphthalene derivative followed by hydration and cyclization HIF1AN, HYOU1, HIF1A TAS2R14 3281/4885MEN1 3844/4885KMT2A 1807/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.